Article pubs.acs.org/JPCA
Exploring the Reactions of Fe+ and FeO+ with NO and NO2 Joshua J. Melko,† Shaun G. Ard,† Joseph A. Fournier,‡ Nicholas S. Shuman,† Jürgen Troe,§ and Albert A. Viggiano*,† †
Air Force Research Laboratory, Space Vehicles Directorate, Kirtland AFB, New Mexico 87117-5776, United States Sterling Chemistry Laboratory, Yale University, P.O. Box 208107, New Haven, Connecticut 06520, United States § Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany and Max-Planck-Institut für Biophysikalische Chemie, D-37077 Göttingen, Germany ‡
ABSTRACT: We report for the first time temperature dependences (from 300 to 600 K) of the reactions of Fe+ and FeO+ with NO and NO2. Both ions react quickly with NO2, and their rate constants have weak negative temperature dependences. The former is consistent with the calculated energy profile along the Fe+ + NO2 reaction coordinate. Ground state Fe+ reacts with NO2 to produce only FeO+, while FeO+ reacts with NO2 to produce NO+ exclusively. Certain source conditions produce excited Fe+, as evidenced by production of primary NO+, which is endothermic with the ground state by 0.35 eV. The room temperature rate constants are in agreement with previous values. For the reactions of Fe+ and FeO+ with NO, we find an upper limit of
